NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 F 4.7154 8.1827 122.8256 58.2965 41.8209 176.6382 8 S 3.9812 8.3494 114.7886 60.9614 62.1409 174.5045 9 A 3.9631 8.1320 123.1916 54.9585 18.6179 178.7010 10 L 3.7804 7.7134 118.2790 57.9402 42.2709 178.5385 11 W 4.1862 8.1291 128.9516 60.8951 30.4663 177.9716 12 Q 3.8282 8.0813 117.5690 58.8745 27.8220 179.0855 13 R 3.7778 7.5724 118.5650 59.0428 30.1160 178.7382 14 L 3.8509 7.6646 118.8956 57.5642 41.6190 179.4483 15 L 3.8089 7.4057 118.8756 57.5819 41.3973 179.1451 16 T 4.0440 7.7371 114.4143 65.3880 68.3985 175.9908 17 R 3.8050 6.9327 119.1360 56.6740 30.2433 177.3484 18 G 3.9463 8.1480 107.6075 44.4144 0.0000 174.0106 19 W 4.6807 7.5287 119.4397 57.3873 29.6514 175.7613 20 Q 4.4305 8.7131 123.2801 54.6925 29.7863 173.7318 21 P 5.2116 0.0000 0.0000 62.6996 32.4944 176.2006 22 V 4.4756 8.7344 116.4612 59.9291 34.8595 176.0808 23 E 4.3883 8.7042 124.9525 55.3958 31.3529 177.7829 24 A 4.5340 8.4831 122.2579 52.1265 17.5194 178.4345 25 S 4.3492 8.9767 117.7113 59.4941 66.6660 174.8260 *34 V 4.0626 8.4145 119.1974 61.4935 34.1813 175.2230 35 G 3.9021 7.7513 105.2393 44.3718 0.0000 173.8483 36 D 4.9467 8.7386 125.4409 53.5606 41.9548 175.8199 37 G 4.5979 8.6058 109.9121 45.4575 0.0000 171.1758 38 V 5.1807 9.0569 119.5124 59.7653 35.2187 174.4962 39 I 4.9377 8.8278 123.3976 59.6128 40.0191 174.3207 40 L 5.0319 8.6925 127.1968 53.1688 43.9286 175.3142 41 L 4.7990 8.9307 124.5264 53.2295 43.8328 175.8404 42 S 5.0991 8.8003 119.4111 56.7932 65.7562 173.4022 43 S 4.4585 8.3650 116.3608 55.7326 65.4129 172.9442 44 D 4.1840 8.4929 122.4015 54.2202 40.9278 175.6064 45 P 4.3494 0.0000 0.0000 65.6822 31.6543 178.1070 46 R 4.4784 7.5567 118.3170 55.5376 29.0567 176.6241 47 R 4.6142 9.3154 124.9034 57.1302 33.3677 174.4420 *52 S 4.4957 8.0953 110.4252 58.2381 63.8815 173.2854 53 D 4.9050 7.9584 116.9223 54.3270 41.8218 176.5655 54 N 4.4973 8.2442 118.1355 56.1571 39.4399 174.0426 55 P 4.6355 0.0000 0.0000 66.0429 31.7407 179.3052 56 V 3.7438 7.9471 108.1407 62.7439 31.8917 178.1723 *58 I 3.9778 7.9531 121.6938 61.4959 38.9723 177.5314 59 A 4.1335 8.7621 122.2504 55.6489 18.0473 179.3732 60 E 3.9621 8.5395 117.4571 59.2295 29.4818 178.8585 61 L 4.2193 7.9611 117.6135 58.0546 42.0117 178.8293 62 L 3.7493 7.9249 118.7737 57.8900 41.3307 179.5660 63 R 4.0394 7.6985 117.0308 59.5096 30.0800 177.5551 64 E 4.5165 8.1144 114.9535 56.2508 31.1990 177.2724 65 F 5.4694 8.4519 117.9602 54.3869 39.3980 173.8203 66 P 4.5983 0.0000 0.0000 64.2931 32.1460 178.0646 67 Q 3.9231 7.8552 117.8689 58.8168 28.7936 176.9958 68 F 4.5087 7.7247 115.0618 56.6308 40.6808 176.0624 69 D 4.7671 8.1332 123.8429 52.1894 39.6485 176.1589 70 W 4.6785 7.6922 119.1472 57.5784 30.3723 177.1549 71 Q 4.8926 9.0272 121.8483 54.2428 32.0111 174.6694 72 V 4.7194 8.1304 119.2976 61.1260 35.0071 174.0332 73 A 5.2031 8.6149 127.6170 50.4170 22.9459 174.9007 74 V 5.0645 9.0210 118.3679 61.1118 35.7165 174.0911 75 A 5.2818 8.5163 126.9012 49.9778 21.3266 176.5613 76 D 4.0716 8.3687 121.5414 52.5444 40.6036 176.7547 77 L 3.4962 7.8135 118.0455 58.2888 41.6484 179.4443 78 E 3.9666 8.0552 117.4689 59.5034 29.5592 179.0887 79 Q 4.1029 7.8251 116.0835 58.0587 28.5274 178.6412 80 S 4.3242 7.3698 115.5976 60.5030 63.2119 175.7299 81 E 4.0635 8.1026 121.7271 59.2397 29.9011 178.2095 82 A 4.2961 7.9685 120.0740 54.7515 19.3362 178.1284 83 I 4.4608 7.7185 121.3377 59.9858 35.1539 174.7967 84 G 4.2587 8.1492 119.8236 46.5548 0.0000 173.0481 85 D 4.3563 7.6702 120.1855 57.0022 41.0666 178.9836 86 R 3.7001 7.8925 117.3559 59.0636 29.9828 176.7103 87 F 4.6852 8.0485 112.9572 56.3202 39.2921 174.5965 88 N 4.0173 9.7686 117.1467 54.4402 37.5993 174.9060 89 V 3.9390 9.3739 117.0816 61.6439 31.0420 175.2439 90 R 4.1568 8.2043 126.3873 56.3413 30.9582 177.0127 91 R 4.4227 7.3348 116.1191 53.9932 32.6132 174.8585 92 F 5.2707 8.1136 119.2627 54.8651 42.7904 173.3160 93 P 4.9190 0.0000 0.0000 62.9382 32.6061 175.1944 94 A 5.2034 8.9259 122.6116 50.8763 23.4562 175.2307 95 T 4.9758 9.7256 115.6971 62.1618 73.2208 173.1199 96 L 4.6372 9.0140 127.1163 53.2557 43.7198 175.6171 97 V 4.5056 8.0343 123.9415 61.4315 32.9592 174.6272 98 F 4.7999 9.3639 127.3005 56.2216 41.6396 175.3648 99 T 4.6640 8.3847 119.4814 61.4425 69.3741 173.1735 100 D 4.6748 8.8454 122.2246 53.2610 41.3155 175.7600 101 G 4.2407 8.0918 105.9843 46.6730 0.0000 171.1515 *106 A 4.1031 7.8433 123.5241 51.9082 19.7797 175.6596 107 L 4.5310 9.2094 124.3570 53.6986 43.4588 176.2378 108 S 4.3987 8.4965 118.6810 58.1518 67.1605 174.6942 109 G 3.6746 8.7366 110.1883 44.7589 0.0000 171.8782 110 I 4.2649 7.7042 118.1821 59.5406 38.9897 174.6735 111 H 4.9971 8.3535 123.6779 52.4876 32.6664 172.1786 112 P 4.4933 0.0000 0.0000 61.8634 33.2285 177.3109 113 W 4.4028 8.9094 130.3355 60.9089 30.4647 177.7927 114 A 3.7042 8.2827 119.8275 55.3227 17.7289 178.8074 115 E 3.7181 8.0461 116.6036 59.3347 29.4752 178.3479 116 L 3.7136 7.2622 118.6955 58.1751 42.0897 178.2765 117 L 3.7287 6.6721 118.3221 58.5439 42.2146 178.7973 118 T 4.0272 7.4034 115.4439 66.4184 68.3581 176.7831 119 L 3.9240 7.5753 117.1211 55.6860 41.3035 178.7729 *121 R 4.4629 7.9489 121.9337 56.4602 31.8586 177.5680 122 S 4.1728 8.0320 111.8456 61.1003 62.6731 175.2550 123 I 3.8095 7.5538 120.2237 64.3859 37.1006 177.7659 124 V 3.7821 7.8321 118.4868 65.9758 31.7053 175.2804 125 D 4.6146 7.9487 122.5083 54.5656 40.7009 176.1777 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 F 8.18 4.72 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.35 3.98 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.13 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.71 3.78 0.00 1.74 1.65 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.13 4.19 0.00 2.59 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.08 3.83 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 13 R 7.57 3.78 0.00 1.90 1.86 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 14 L 7.66 3.85 0.00 1.59 1.72 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.41 3.81 0.00 1.36 1.45 0.44 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.74 4.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 17 R 6.93 3.81 0.00 0.93 0.66 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.27 0.00 18 G 8.15 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.53 4.68 0.00 3.36 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.71 4.43 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 21 P 0.00 5.21 0.00 2.12 2.40 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 22 V 8.73 4.48 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.05 0.00 0.00 23 E 8.70 4.39 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 24 A 8.48 4.53 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.98 4.35 0.00 3.70 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 V 8.41 4.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.80 0.00 0.00 35 G 7.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.74 4.95 0.00 2.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.61 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.06 5.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.85 0.00 0.00 39 I 8.83 4.94 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.92 0.00 0.00 40 L 8.69 5.03 0.00 1.63 1.61 0.83 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.93 4.80 0.00 1.79 1.61 1.28 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.80 5.10 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.37 4.46 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.49 4.18 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.35 0.00 2.32 2.23 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 46 R 7.56 4.48 0.00 1.79 1.97 0.00 3.58 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 47 R 9.32 4.61 0.00 1.76 1.93 0.00 3.36 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 *52 S 8.10 4.50 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.96 4.91 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.24 4.50 0.00 2.73 2.94 0.00 0.00 7.07 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.64 0.00 2.34 2.40 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 56 V 7.95 3.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.07 0.00 0.00 *58 I 7.95 3.98 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 0.68 0.00 0.00 59 A 8.76 4.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.54 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 61 L 7.96 4.22 0.00 1.79 1.52 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.92 3.75 0.00 1.69 1.69 0.84 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.70 4.04 0.00 2.11 2.14 0.00 3.28 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 64 E 8.11 4.52 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.86 0.00 65 F 8.45 5.47 0.00 3.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.60 0.00 2.09 2.18 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 67 Q 7.86 3.92 0.00 1.70 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 68 F 7.72 4.51 0.00 1.51 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.13 4.77 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 7.69 4.68 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.03 4.89 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 72 V 8.13 4.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.66 0.00 0.00 0.58 0.00 0.00 73 A 8.61 5.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 9.02 5.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 1.13 0.00 0.00 75 A 8.52 5.28 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.37 4.07 0.00 2.13 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.81 3.50 0.00 1.23 1.37 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.06 3.97 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 79 Q 7.83 4.10 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 80 S 7.37 4.32 0.00 3.82 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.10 4.06 0.00 1.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 82 A 7.97 4.30 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.72 4.46 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 1.11 0.00 0.00 84 G 8.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.67 4.36 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.89 3.70 0.00 1.65 1.90 0.00 3.07 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 87 F 8.05 4.69 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.77 4.02 0.00 2.82 2.84 0.00 0.00 6.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.37 3.94 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.98 0.00 0.00 90 R 8.20 4.16 0.00 1.70 1.85 0.00 3.22 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 91 R 7.33 4.42 0.00 1.60 1.68 0.00 3.08 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 92 F 8.11 5.27 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.92 0.00 2.14 2.06 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 94 A 8.93 5.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.73 4.98 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 L 9.01 4.64 0.00 1.61 1.13 0.46 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.03 4.51 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.72 0.00 0.00 98 F 9.36 4.80 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.38 4.66 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 100 D 8.85 4.67 0.00 2.73 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.09 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 A 7.84 4.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.21 4.53 0.00 1.52 1.53 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.50 4.40 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.74 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.70 4.26 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.88 0.00 0.00 111 H 8.35 5.00 0.00 3.06 3.06 0.00 5.96 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.49 0.00 2.19 2.03 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 113 W 8.91 4.40 0.00 3.50 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.28 3.70 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.05 3.72 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 116 L 7.26 3.71 0.00 1.54 1.46 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 117 L 6.67 3.73 0.00 0.55 1.40 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.40 4.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 119 L 7.58 3.92 0.00 1.71 1.53 0.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 7.95 4.46 0.00 2.19 2.15 0.00 3.22 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 122 S 8.03 4.17 0.00 3.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.55 3.81 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.82 0.00 0.00 124 V 7.83 3.78 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.91 0.00 0.00 125 D 7.95 4.61 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.